Influence of apricot constituents as eco-friendly corrosion inhibitor for mild steel in acidic medium: A theoretical approach

The corrosion prevention mechanism of steel by apricot juice as green chemicals was better understood using molecular dynamics and quantum chemistry simulations. Furthermore, mathematical and statistical analysis were a powerful tool for building a relationship between inhibitor performance and independent variables. Eighteen main compounds of apricot juice were investigated using quantum chemical calculations. HOMO energy, LUMO energy, energy...